Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 20/20 | 1.00 |
| ▸ | PTGS1 | P23219 | 9/20 | 0.62 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.58 |
| ▸ | HTR1A | P08908 | 1/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.58 |
| ▸ | MC4R | P32245 | 1/20 | 0.58 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4752031 | 0.82 | PTGS2 (1.00) | PTGS2 | |
| SCHEMBL8770202 | 0.80 | PTGS2 (0.79) | PTGS2PTGS1 | |
| SCHEMBL1687503 | 0.80 | PTGS2 (0.79) | PTGS2PTGS1 | |
| SCHEMBL114611 | 0.80 | PTGS2 (0.67) | PTGS2 | |
| SCHEMBL8423806 | 0.80 | PTGS2 (0.69) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL9474080 | 0.78 | PTGS2 (0.64) | PTGS2 | |
| SCHEMBL14108243 | 0.78 | PTGS2 (0.64) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL3252409 | 0.77 | PTGS2 (0.68) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL3815134 | 0.77 | PTGS2 (0.65) | PTGS2 | |
| SCHEMBL3832067 | 0.77 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008140251-A2 | CYCLOOXYGENASE-2 INHIBITORS | UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) | 2008-11-20 | — | — | WO | disclosed |
| WO-2008140251-A2 | CYCLOOXYGENASE-2 INHIBITORS | UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) | 2008-11-20 | — | — | WO | disclosed |